Geometry & MOs

Info

ID:	77697
PubChem CID:	49658653
Reduced:	SO3N4C27H28 (1)
Stoich.:	AB3C4D27E28 (1)
Weight, g/mol:	460.156912
ΔH_f, kcal/mol:	-33.31
Dipole, Da:	9.23
IP(EA), eV:	-8.38(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-(furan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CNC(=O)C2=CC(=CC=C2)N3C=CN=C3SCC(=O)NC4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations